1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methoxyphenyl)thio]-1-butanone IUPAC Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-4-[(4-methoxyphenyl)thio]butan-1-one Formula: C23H26ClN3O2S2 MolecularWeight: 476.05444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26ClN3O2S2/c1-16-5-10-19(24)22-21(16)25-23(31-22)27-13-11-26(12-14-27)20(28)4-3-15-30-18-8-6-17(29-2)7-9-18/h5-10H,3-4,11-15H2,1-2H3